SCHEMBL16627768

SCHEMBL16627768

CSc1ccc2c(c1)CC(CCn1c(=O)c(C(=O)NCCCc3ccccc3)cc3ccccc31)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.42
CNR2 P34972 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16627705 0.76 MEN1 (0.49) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL16627581 0.70 CNR1 (0.54) CNR1CNR2LMNA
SCHEMBL16627827 0.67 AHR (0.49) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL2736472 0.66 CNR2 (0.51) CNR1CNR2MAPTLMNATP53
SCHEMBL16627829 0.65 KMT2A (0.49) CNR1CNR2SMN1; SMN2MAPTLMNA
SCHEMBL16627835 0.64 CNR1 (0.48) CNR1CNR2MAPTL3MBTL1HPGD
SCHEMBL16627770 0.64 KMT2A (0.57) SMN1; SMN2MAPTLMNATP53
SCHEMBL11053552 0.63 CA1 (0.56) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL2737020 0.63 CNR2 (0.91) CNR1CNR2
SCHEMBL11050202 0.62 CA1 (0.60) SMN1; SMN2NPC1RAB9AMAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed